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Related entries of code: 3kb3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4la7RCSB PDB    PDBbind193aa, >4LA7_1|Chain... *
5jnnRCSB PDB    PDBbind190aa, >5JNN_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3jrsRCSB PDB    PDBbindA8S
3w9rRCSB PDB    PDBbindA8S
5mobRCSB PDB    PDBbindA8S
5ujvRCSB PDB    PDBbindA8S

Entry Information
PDB ID3kb3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameabscisic acid-bound PYL2
Ligand NameA8S
EC.Number E.C.3.1.3.16
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)IC50=0.15uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Nature Vol. 462: pp. 602-608
Ligand Properties
Formula C15H20O4
Molecular Weight 264.317
Exact Mass 264.136
No. of atoms 39
No. of bonds 39
Polar Surface Area 74.6
LOGP Value 2.91      (Computed with XLOGP3)
2.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): O80992  Q9CAJ0  
Entrez Gene IDNCBI Entrez Gene ID: 817145  843609  
ASDInformation of known allosteric effects of PDB entries

 
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